2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine

C12H24F3N — CID 126694483

IUPAC2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
SMILESCCCCCC(C)(C)CNC(C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-5-6-7-8-11(3,4)9-16-10(2)12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyFGCLCVIXLWHEOY-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.13
Rot. Bonds7

About 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine

2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine (PubChem CID 126694483) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
PubChem CID126694483
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
SMILESCCCCCC(C)(C)CNC(C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-5-6-7-8-11(3,4)9-16-10(2)12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyFGCLCVIXLWHEOY-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
N,2,2-trimethyloctan-1-amine
CID 62723717
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 107354449
methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine (CID 126694483) is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine is CCCCCC(C)(C)CNC(C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The InChIKey is FGCLCVIXLWHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-5-6-7-8-11(3,4)9-16-10(2)12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine is sourced from PubChem (CID 126694483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).